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methyl 13-hydroxytridecanoate

methyl 13-hydroxytridecanoate

CAS: 7147-29-7

Formula: C14H28O3

SMILES: COC(=O)CCCCCCCCCCCCO

IUPAC: methyl 13-hydroxytridecanoate

InChI: InChI=1S/C14H28O3/c1-17-14(16)12-10-8-6-4-2-3-5-7-9-11-13-15/h15H,2-13H2,1H3

Composition: C (68.81%), H (11.55%), O (19.64%)

Molar Mass: 244.375

Atom Count: 45

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 244.203844762
Formal Charge 0
FSP3 0.93
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GDIMZSDGQZKRLW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.98
Topological Polar Surface Area 46.53
Polarizability 27.9
Ring Count 0
Rotatable Bond Count 13

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